(2S)-2-[(2S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclopentan-1-one

C16H20O2 — CID 125472195

IUPAC(2S)-2-[(2S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclopentan-1-one
SMILESCOc1ccc2c(c1)CC[C@H]([C@@H]1CCCC1=O)C2
InChIInChI=1S/C16H20O2/c1-18-14-8-7-11-9-13(6-5-12(11)10-14)15-3-2-4-16(15)17/h7-8,10,13,15H,2-6,9H2,1H3/t13-,15-/m0/s1
InChIKeyNFWCMYLHNCZNSM-ZFWWWQNUSA-N
MW244.33 g/mol
LogP3.17
Rot. Bonds2

About (2S)-2-[(2S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclopentan-1-one

(2S)-2-[(2S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclopentan-1-one (PubChem CID 125472195) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2S)-2-[(2S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-[(2S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclopentan-1-one
PubChem CID125472195
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(2S)-2-[(2S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclopentan-1-one
SMILESCOc1ccc2c(c1)CC[C@H]([C@@H]1CCCC1=O)C2
InChIInChI=1S/C16H20O2/c1-18-14-8-7-11-9-13(6-5-12(11)10-14)15-3-2-4-16(15)17/h7-8,10,13,15H,2-6,9H2,1H3/t13-,15-/m0/s1
InChIKeyNFWCMYLHNCZNSM-ZFWWWQNUSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(2S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclopentan-1-one with MolForge

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Related Compounds

7-methoxy-2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 68524779
6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 134188965
2-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 139866093
4-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3a-methyl-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 14100852
methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 22882753
(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 15718592
[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]hydrazine
CID 124537599
methyl 2-hydroxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 54467524
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 131876575
2-(6-butoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 22383259
7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 19889857
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 13472347

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclopentan-1-one?
The IUPAC name of (2S)-2-[(2S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclopentan-1-one (CID 125472195) is (2S)-2-[(2S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclopentan-1-one.
What is the SMILES notation for (2S)-2-[(2S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclopentan-1-one?
The canonical SMILES for (2S)-2-[(2S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclopentan-1-one is COc1ccc2c(c1)CC[C@H]([C@@H]1CCCC1=O)C2.
What is the InChIKey of (2S)-2-[(2S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclopentan-1-one?
The InChIKey is NFWCMYLHNCZNSM-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H20O2/c1-18-14-8-7-11-9-13(6-5-12(11)10-14)15-3-2-4-16(15)17/h7-8,10,13,15H,2-6,9H2,1H3/t13-,15-/m0/s1.
What are the key properties of (2S)-2-[(2S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclopentan-1-one?
(2S)-2-[(2S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclopentan-1-one has a molecular weight of 244.33 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]cyclopentan-1-one is sourced from PubChem (CID 125472195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).